AKN-028
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AKN-028
- DrugBank Accession Number
- DB12746
- Background
AKN-028 has been used in trials studying the treatment of Acute Myeloid Leukemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 302.341
Monoisotopic: 302.127994475 - Chemical Formula
- C17H14N6
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Indoles and derivatives
- Sub Class
- Indoles
- Direct Parent
- Indoles
- Alternative Parents
- Aminopyrazines / Pyridines and derivatives / Imidolactams / Benzenoids / Pyrroles / Heteroaromatic compounds / Secondary amines / Azacyclic compounds / Primary amines / Hydrocarbon derivatives
- Substituents
- Amine / Aminopyrazine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam / Indole / Organic nitrogen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y66IS3CS0R
- CAS number
- 1175017-90-9
- InChI Key
- JLRIJKVMMZEKDF-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)
- IUPAC Name
- N2-(1H-indol-5-yl)-6-(pyridin-4-yl)pyrazine-2,3-diamine
- SMILES
- NC1=C(NC2=CC=C3NC=CC3=C2)N=C(C=N1)C1=CC=NC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44177328
- PubChem Substance
- 347828936
- ChemSpider
- 32701682
- ZINC
- ZINC000116749119
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Terminated Treatment Acute Myeloid Leukemia 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.042 mg/mL ALOGPS logP 2.54 ALOGPS logP 2.25 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 14.26 Chemaxon pKa (Strongest Basic) 4.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 92.51 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 89.25 m3·mol-1 Chemaxon Polarizability 31.92 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-8a5cedf71d7f2bd97491 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0uk9-0098000000-734405acd291414aba34 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0049000000-8f556929c43a33e44af1 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0159000000-218888edab00f1489625 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01di-1690000000-8c2620b3e1ebb043c691 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0hfx-0960000000-5a8513f399af25244eae Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 171.51201 predictedDeepCCS 1.0 (2019) [M+H]+ 173.87001 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.88777 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:00 / Updated at June 12, 2020 16:53